Study the Effect of Hydroxyl Radical on the Monogermacyclobutane Molecule by using Density Functional Theory

This work reports a theoretical study to investigate the electronic structure and optimized geometry for a saturated molecules group by using density functional theory (DFT) at B3LYP level with bases set 6-31G. Cyclobutane molecule is an original molecule before substitute one-carbon atom by one-germanium atom. The effect of substitute on cyclobutane molecule is discussed on the basis of the calculated electronic properties. The electronic properties included total energy, energy gap, ionization potential, electronic affinity, hardness and softness, which have been found with varying differences for each molecule, with comprehensive analysis of the calculated highest-occupied and lowest-unoccupied orbital (HOMO and LUMO respectively) energies. These properties also studied with substituting the one hydrogen atom by one hydroxyl (OH) radical in same molecular. The results in this study show that the calculated total energy, energy gap and ionization potential for cyclobutane have been found a good agreement with the previous studies. For other molecules, we have not found a reference data, so this study supplies a new data in this aspect. These calculations have been performed using Gaussian 03 package. Keywords: Cyclobutane, DFT, energy gap, ionization potential

Study the Effect of Hydroxyl radical on the Monogermacyclobutane Molecule by using density functional theory

This work reports a theoretical study to investigate the electronic structure and optimized geometry for a saturated molecules group by using density functional theory (DFT) at B3LYP level with bases set 6-31G. Cyclobutane molecule is an original molecule before substitute one-carbon atom by one-germanium atom. The effect of substitute on cyclobutane molecule is discussed on the basis of the calculated electronic properties. The electronic properties included total energy, energy gap, ionization potential, electronic affinity, hardness and softness, which have been found with varying differences for each molecule, with comprehensive analysis of the calculated highest-occupied and lowest-unoccupied orbital (HOMO and LUMO respectively) energies. These properties also studied with substituting the one hydrogen atom by one hydroxyl (OH) radical in same molecular. The results in this study show that the calculated total energy, energy gap and ionization potential for cyclobutane have been found a good agreement with the previous studies. For other molecules, we have not found a reference data, so this study supplies a new data in this aspect. These calculations have been performed using Gaussian 03 package. Keywords: Cyclobutane, DFT, energy gap, ionization potential

Synthesis new fused and non-fused chromene [I] derivatives derived from 2-amino-4-[4-(dimethylamino)phenyl]-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

A new series of pyrano-chromene and pyrimido pyrano-chromene derivatives were synthesized starting from 2-amino-4-[4-(dimethylamino)phenyl]-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile (5). The structures of the synthesized compounds were elucidated by spectral data. Key words: Chromenes, Pyrano-chromene

Biochemical Assessment of some common Commercial Fruit Juice Consumed in Maiduguri Metropolis, Nigeria

Biochemical assessment was carried out on six different samples of fruit juice labeled A, B, C, D,E, F commonly consumed within University of Maiduguri (UNIMAID),and Maiduguri Metropolis. Malondialdehyde, Malonaldehyde and thiobarbituric acid reactive substances (TBARS) assay which are evidence for lipid peroxidation (deterioration) as well as concentration of vitamin C (ascorbic acid) in the fruit juice samples were determined spectrophotometrically using spectrum Lab 22 model spectrophotometer. Results were analyzed statistically using T-test statistic at p<0.05 level of significance. Samples F had the highest values of 2.515 mg/ml ± 0.15  and 2.867 mg/ml ± 0.15  and 2.116 mg/ml ± 0.10 respectively, among all the samples analyzed for malondialdehyde, malonaldehyde and TBRS concentrations (p<0.05). The above values correlated with the concentration of 3.47 mg/ml ± 0.08 of vitamin C in sample F which was the lowest among all the samples. This suggests that the juice sample labeled F, which is locally produced, showed higher level of deterioration than other samples (samples A to E). Key words: Deterioration, Malondialdehyde, Malonaldehyde, Peroxidatio

Preliminary study on formation of ex situ fouling deposit from palm-based coconut milk substitute and RBD palm oil

Fouling deposit and cleaning processes present a major impact to the manufacturing industry in terms of economics, product quality, product safety and plant efficiency. An efficient cleaning process is essential in order to remove fouling deposit to maintain quality and safety of production process as well as the product. Thus, cleaning should be done with minimum cost and time, and understanding soil properties and how cleaning happened, will help in achieving the industrial goal of minimizing its costs. This study aims to identify the characteristics of fat-based fouling deposit through crystallization freeze fouling deposition method. Selected materials for fat-based fouling deposit physical models are palm-based coconut milk substitute (PBCMS) and the refined, bleached and deodorized palm oil (RBDPO). Deposit's density, hardness, adhesiveness are among the physical characteristics investigated. Ex situ crystallization method was done at three temperatures (5, 15 and 25°C) where fouling deposits appearances was found changes from gel-like form to semi-solid as the temperature increased. As the ingredient of palm-based coconut milk substitute is RBDPO, fouling formation using this material was also done through crystallization fouling to further understand the deposit's characteristics. Similar analyses were done on the RBDPO fouling deposit and comparison was made between the two fouling deposits. Significance and how these characteristics will affect its cleaning processes were discussed

The global burden of cancer attributable to risk factors, 2010–19: a systematic analysis for the Global Burden of Disease Study 2019

BACKGROUND: Understanding the magnitude of cancer burden attributable to potentially modifiable risk factors is crucial for development of effective prevention and mitigation strategies. We analysed results from the Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2019 to inform cancer control planning efforts globally. METHODS: The GBD 2019 comparative risk assessment framework was used to estimate cancer burden attributable to behavioural, environmental and occupational, and metabolic risk factors. A total of 82 risk–outcome pairs were included on the basis of the World Cancer Research Fund criteria. Estimated cancer deaths and disability-adjusted life-years (DALYs) in 2019 and change in these measures between 2010 and 2019 are presented. FINDINGS: Globally, in 2019, the risk factors included in this analysis accounted for 4·45 million (95% uncertainty interval 4·01–4·94) deaths and 105 million (95·0–116) DALYs for both sexes combined, representing 44·4% (41·3–48·4) of all cancer deaths and 42·0% (39·1–45·6) of all DALYs. There were 2·88 million (2·60–3·18) risk-attributable cancer deaths in males (50·6% [47·8–54·1] of all male cancer deaths) and 1·58 million (1·36–1·84) risk-attributable cancer deaths in females (36·3% [32·5–41·3] of all female cancer deaths). The leading risk factors at the most detailed level globally for risk-attributable cancer deaths and DALYs in 2019 for both sexes combined were smoking, followed by alcohol use and high BMI. Risk-attributable cancer burden varied by world region and Socio-demographic Index (SDI), with smoking, unsafe sex, and alcohol use being the three leading risk factors for risk-attributable cancer DALYs in low SDI locations in 2019, whereas DALYs in high SDI locations mirrored the top three global risk factor rankings. From 2010 to 2019, global risk-attributable cancer deaths increased by 20·4% (12·6–28·4) and DALYs by 16·8% (8·8–25·0), with the greatest percentage increase in metabolic risks (34·7% [27·9–42·8] and 33·3% [25·8–42·0]). INTERPRETATION: The leading risk factors contributing to global cancer burden in 2019 were behavioural, whereas metabolic risk factors saw the largest increases between 2010 and 2019. Reducing exposure to these modifiable risk factors would decrease cancer mortality and DALY rates worldwide, and policies should be tailored appropriately to local cancer risk factor burden

Charged-particle nuclear modification factors in PbPb and pPb collisions at √=sNN=5.02 TeV

The spectra of charged particles produced within the pseudorapidity window |η| < 1 at √ sNN = 5.02 TeV are measured using 404 µb −1 of PbPb and 27.4 pb−1 of pp data collected by the CMS detector at the LHC in 2015. The spectra are presented over the transverse momentum ranges spanning 0.5 < pT < 400 GeV in pp and 0.7 < pT < 400 GeV in PbPb collisions. The corresponding nuclear modification factor, RAA, is measured in bins of collision centrality. The RAA in the 5% most central collisions shows a maximal suppression by a factor of 7–8 in the pT region of 6–9 GeV. This dip is followed by an increase, which continues up to the highest pT measured, and approaches unity in the vicinity of pT = 200 GeV. The RAA is compared to theoretical predictions and earlier experimental results at lower collision energies. The newly measured pp spectrum is combined with the pPb spectrum previously published by the CMS collaboration to construct the pPb nuclear modification factor, RpA, up to 120 GeV. For pT > 20 GeV, RpA exhibits weak momentum dependence and shows a moderate enhancement above unity

Preliminary study on formation of ex situ fouling deposit from palm-based coconut milk substitute and RBD palm oil

Fouling deposit and cleaning processes present a major impact to the manufacturing industry in terms of economics, product quality, product safety and plant efficiency. An efficient cleaning process is essential in order to remove fouling deposit to maintain quality and safety of production process as well as the product. Thus, cleaning should be done with minimum cost and time, and understanding soil properties and how cleaning happened, will help in achieving the industrial goal of minimizing its costs. This study aims to identify the characteristics of fat-based fouling deposit through crystallization freeze fouling deposition method. Selected materials for fat-based fouling deposit physical models are palm-based coconut milk substitute (PBCMS) and the refined, bleached and deodorized palm oil (RBDPO). Deposit's density, hardness, adhesiveness are among the physical characteristics investigated. Ex situ crystallization method was done at three temperatures (5, 15 and 25°C) where fouling deposits appearances was found changes from gel-like form to semi-solid as the temperature increased. As the ingredient of palm-based coconut milk substitute is RBDPO, fouling formation using this material was also done through crystallization fouling to further understand the deposit's characteristics. Similar analyses were done on the RBDPO fouling deposit and comparison was made between the two fouling deposits. Significance and how these characteristics will affect its cleaning processes were discussed